2-[2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(4-phenethyl-1-piperazin-4-iumyl)ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C26H27N3O2/c30-25-22-10-4-8-21-9-5-11-23(24(21)22)26(31)29(25)19-18-28-16-14-27(15-17-28)13-12-20-6-2-1-3-7-20/h1-11H,12-19H2/p+1